N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide

C16H18N4O — CID 109110282

IUPACN-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2ccc(C)c(C)c2)nn1
InChIInChI=1S/C16H18N4O/c1-4-9-17-15-8-7-14(19-20-15)16(21)18-13-6-5-11(2)12(3)10-13/h4-8,10H,1,9H2,2-3H3,(H,17,20)(H,18,21)
InChIKeyCQISXOFKQKXJNL-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.94
Rot. Bonds5

About N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide

N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide (PubChem CID 109110282) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
PubChem CID109110282
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2ccc(C)c(C)c2)nn1
InChIInChI=1S/C16H18N4O/c1-4-9-17-15-8-7-14(19-20-15)16(21)18-13-6-5-11(2)12(3)10-13/h4-8,10H,1,9H2,2-3H3,(H,17,20)(H,18,21)
InChIKeyCQISXOFKQKXJNL-UHFFFAOYSA-N
XLogP2.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110366
N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110326
methyl 4-[[6-(prop-2-enylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109110332
N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110345
N-(1,3-benzodioxol-5-yl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110351
N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110375
N-(3,4-dimethylphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320128
N-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109122089
N-(3,4-dimethylphenyl)-6-methylpyridazine-3-carboxamide
CID 110705287
6-(prop-2-enylamino)-N-propylpyridazine-3-carboxamide
CID 109109201
6-(ethylamino)-N-(3-fluoro-4-methylphenyl)pyridazine-3-carboxamide
CID 62166237
N-(5-chloro-2-methoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110309

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide (CID 109110282) is N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide is C=CCNc1ccc(C(=O)Nc2ccc(C)c(C)c2)nn1.
What is the InChIKey of N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The InChIKey is CQISXOFKQKXJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-4-9-17-15-8-7-14(19-20-15)16(21)18-13-6-5-11(2)12(3)10-13/h4-8,10H,1,9H2,2-3H3,(H,17,20)(H,18,21).
What are the key properties of N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109110282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).